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deltonin

CAS No.:
55659-75-1
Catalog Number:
AG00DHN2
Molecular Formula:
C45H72O17
Molecular Weight:
885.0430
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$585
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Product Description
Catalog Number:
AG00DHN2
Chemical Name:
deltonin
CAS Number:
55659-75-1
Molecular Formula:
C45H72O17
Molecular Weight:
885.0430
MDL Number:
MFCD26145166
IUPAC Name:
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI:
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChI Key:
OLAMGHNQGZIWHZ-YIKYYZBWSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
UNII:
39Y54R152I
Properties
Complexity:
1620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
26  
Defined Bond Stereocenter Count:
0
Exact Mass:
884.477g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
885.054g/mol
Monoisotopic Mass:
884.477g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
256A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Application of high-speed countercurrent chromatography-evaporative light scattering detection for the separation of seven steroidal saponins from Dioscorea villosa. Phytochemical analysis : PCA 20120101
Deltonin, a steroidal saponin, inhibits colon cancer cell growth in vitro and tumor growth in vivo via induction of apoptosis and antiangiogenesis. Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20110101
Preparative separation of dioscin derivatives from Dioscorea villosa by centrifugal partition chromatography coupled with evaporative light scattering detection. Journal of separation science 20080701
[Study on steroidal compounds from Dioscorea zingiberensis]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20061101
Properties